4-[3-(chloroamino)-2-hydroxypropyl]-1,3-dihydroimidazol-2-one

C6H10ClN3O2 — CID 175538702

IUPAC4-[3-(chloroamino)-2-hydroxypropyl]-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]cc(CC(O)CNCl)[nH]1
InChIInChI=1S/C6H10ClN3O2/c7-9-3-5(11)1-4-2-8-6(12)10-4/h2,5,9,11H,1,3H2,(H2,8,10,12)
InChIKeyYDASEWNRYHJGTL-UHFFFAOYSA-N
MW191.62 g/mol
LogP-0.65
Rot. Bonds4

About 4-[3-(chloroamino)-2-hydroxypropyl]-1,3-dihydroimidazol-2-one

4-[3-(chloroamino)-2-hydroxypropyl]-1,3-dihydroimidazol-2-one (PubChem CID 175538702) has the molecular formula C6H10ClN3O2 and a molecular weight of 191.62 g/mol. Its IUPAC name is 4-[3-(chloroamino)-2-hydroxypropyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[3-(chloroamino)-2-hydroxypropyl]-1,3-dihydroimidazol-2-one
PubChem CID175538702
Molecular FormulaC6H10ClN3O2
Molecular Weight191.62 g/mol
Exact Mass191.05
IUPAC Name4-[3-(chloroamino)-2-hydroxypropyl]-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]cc(CC(O)CNCl)[nH]1
InChIInChI=1S/C6H10ClN3O2/c7-9-3-5(11)1-4-2-8-6(12)10-4/h2,5,9,11H,1,3H2,(H2,8,10,12)
InChIKeyYDASEWNRYHJGTL-UHFFFAOYSA-N
XLogP-0.65
TPSA80.91 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.62
LogP ≤ 5-0.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze 4-[3-(chloroamino)-2-hydroxypropyl]-1,3-dihydroimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(chloroamino)-2-hydroxypropyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[3-(chloroamino)-2-hydroxypropyl]-1,3-dihydroimidazol-2-one (CID 175538702) is 4-[3-(chloroamino)-2-hydroxypropyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[3-(chloroamino)-2-hydroxypropyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[3-(chloroamino)-2-hydroxypropyl]-1,3-dihydroimidazol-2-one is O=c1[nH]cc(CC(O)CNCl)[nH]1.
What is the InChIKey of 4-[3-(chloroamino)-2-hydroxypropyl]-1,3-dihydroimidazol-2-one?
The InChIKey is YDASEWNRYHJGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN3O2/c7-9-3-5(11)1-4-2-8-6(12)10-4/h2,5,9,11H,1,3H2,(H2,8,10,12).
What are the key properties of 4-[3-(chloroamino)-2-hydroxypropyl]-1,3-dihydroimidazol-2-one?
4-[3-(chloroamino)-2-hydroxypropyl]-1,3-dihydroimidazol-2-one has a molecular weight of 191.62 g/mol, XLogP of -0.65, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(chloroamino)-2-hydroxypropyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 175538702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).